N-[[4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium chloride (1:1)
CAS Registry Number®
229005-80-5
CAS Name
N-[[4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium chloride (1:1)Molecular Formula
C33H39N2O2.ClCite this Page
N-[[4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium chloride (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=229005-80-5 (retrieved ) (CAS RN: 229005-80-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C33H38N2O2.ClH/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32;/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3;1H
InChIKey
InChIKey=VDALIBWXVQVFGZ-UHFFFAOYSA-N
SMILES
C(NC1=CC=C(C[N+](C)(C)C2CCOCC2)C=C1)(=O)C3=CC=4C(=CC=C(C4)C5=CC=C(C)C=C5)CCC3.[Cl-]
Canonical SMILES
[Cl-].O=C(NC1=CC=C(C=C1)C[N+](C)(C)C2CCOCC2)C3=CC4=CC(=CC=C4CCC3)C=5C=CC(=CC5)C
Other Names for this Substance
- 2H-Pyran-4-aminium, N-[[4-[[[6,7-dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-, chloride (1:1)
- 2H-Pyran-4-aminium, N-[[4-[[[6,7-dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-, chloride
- N-[[4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium chloride (1:1)
- TAK 779
- TAK 799